2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide

C11H19N5O2 — CID 136989947

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H19N5O2/c1-4-16(5-2)8(17)6-15(3)10-9(12)11(18)14-7-13-10/h7H,4-6,12H2,1-3H3,(H,13,14,18)
InChIKeyTYWPEORQSRDGIT-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.34
Rot. Bonds5

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide (PubChem CID 136989947) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
PubChem CID136989947
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H19N5O2/c1-4-16(5-2)8(17)6-15(3)10-9(12)11(18)14-7-13-10/h7H,4-6,12H2,1-3H3,(H,13,14,18)
InChIKeyTYWPEORQSRDGIT-UHFFFAOYSA-N
XLogP-0.34
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 137009099
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
CID 62673044
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007638
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773
5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979598
2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 79531880
5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 137009854

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide (CID 136989947) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The InChIKey is TYWPEORQSRDGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-16(5-2)8(17)6-15(3)10-9(12)11(18)14-7-13-10/h7H,4-6,12H2,1-3H3,(H,13,14,18).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide has a molecular weight of 253.31 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 136989947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).